SCHEMBL13620035

SCHEMBL13620035

CC(c1cc(Cl)ccc1Cl)n1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.42
JAK1 P23458 5/20 0.42
JAK3 P52333 4/20 0.42
KDM1A O60341 1/20 0.42
IDH1 O75874 1/20 0.40
BRD4 O60885 2/20 0.38
ATAD2 Q6PL18 2/20 0.38
USP1 O94782 3/20 0.36
PAK1 Q13153 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRKCQ Q04759 1/20 0.34
TYRO3 Q06418 1/20 0.34
MAPK8 P45983 1/20 0.33
CHEK1 O14757 1/20 0.33
PDE9A O76083 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13608288 1.00 JAK2 (0.42) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL3851510 1.00 JAK2 (0.42) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL13608301 1.00 JAK2 (0.42) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL3851502 1.00 JAK2 (0.42) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL13608412 0.90 KDM1A (0.41) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL13608226 0.90 KDM1A (0.41) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL13620383 0.88 JAK2 (0.40) JAK2JAK1JAK3KDM1AIDH1
SCHEMBL13608432 0.86 KDM1A (0.44) JAK2JAK1JAK3KDM1ABRD4
SCHEMBL13608198 0.85 BRD4 (0.40) JAK2JAK1JAK3KDM1ABRD4
SCHEMBL13608147 0.84 EGFR (0.36) JAK2JAK1JAK3KDM1ABRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ JAK2 1072/4885JAK1 816/4885JAK3 1062/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.